NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8829 8.3033 120.6517 55.4953 31.9053 172.2577 2 L 4.9992 7.6959 116.7931 52.4144 44.9970 173.7502 3 N 5.0364 9.3515 120.7965 51.1891 41.7527 174.4411 4 V 3.9886 8.5252 122.2581 63.6666 32.9020 174.4996 5 L 5.2469 8.1284 125.2554 53.2112 44.2780 175.3649 6 A 5.1208 8.9598 123.1105 50.1219 23.1672 174.6443 7 K 4.9262 8.8296 121.4590 54.1552 35.1290 175.2926 8 A 4.4080 8.7952 129.9709 52.2763 18.7541 178.1201 9 L 4.0183 8.9706 123.1556 56.4209 42.3830 176.4117 10 Y 4.9399 7.6516 114.2289 56.1835 42.2213 174.5446 11 D 4.7748 8.7627 120.5805 54.8062 42.2338 175.7542 12 N 4.5073 8.6946 119.3642 52.1380 42.2939 173.1828 13 V 4.4412 8.2370 126.5261 60.7872 32.6616 175.0807 14 A 4.2276 8.5540 130.7804 52.9003 18.2305 176.8922 15 E 4.2995 9.4992 122.7457 56.6639 30.6098 175.6700 16 S 4.6762 7.3859 111.3915 56.6812 65.8296 173.2357 17 P 4.3552 0.0000 0.0000 65.3710 31.3310 177.6841 18 D 4.4853 7.7749 116.8994 55.6531 41.0799 175.1375 19 E 5.1221 7.7147 120.6095 54.4774 31.0854 175.5932 20 L 4.4464 8.6524 126.5301 54.8784 42.5528 176.7422 21 S 4.8714 8.6257 118.8779 57.9156 64.5388 173.1548 22 F 4.9569 8.3029 116.8442 56.4325 41.6639 172.8140 23 R 5.1609 9.4151 118.3131 53.7099 33.2633 175.9736 24 K 4.0153 8.8680 122.7581 58.7116 32.4298 177.0186 25 G 4.0204 8.9403 115.1669 45.1489 0.0000 173.5900 26 D 4.5235 8.1682 120.1010 54.6246 42.0892 175.4306 27 I 4.9587 8.2418 122.8727 59.7487 39.1813 174.8062 28 M 4.9443 9.0095 124.0747 53.6234 35.1964 174.4152 29 T 4.6552 8.6899 117.1092 62.8685 70.3824 174.2981 30 V 4.2397 8.7127 127.5227 62.2135 31.3369 175.5950 31 L 4.2818 8.8756 129.6172 57.4120 42.5596 177.8132 32 E 4.4608 7.7366 119.6291 55.1978 32.6412 174.7736 33 Q 3.5107 8.4568 126.5689 56.7225 29.8461 175.6116 34 D 4.7760 8.6307 118.6776 54.4841 38.6464 174.3538 35 T 4.0612 7.9420 113.0711 63.4031 68.4371 173.6912 36 Q 3.5929 9.7031 125.3179 57.1633 26.2563 174.8699 37 G 3.9850 8.5107 103.9001 45.3933 0.0000 174.2643 38 L 4.3107 7.9742 120.2487 54.0696 42.5135 175.5577 39 D 4.8495 9.0065 121.6799 55.5886 41.8553 176.2314 40 G 3.9934 9.9232 116.2887 44.5561 0.0000 171.4246 41 W 5.1453 8.3169 120.0171 54.6674 31.9687 174.4736 42 W 5.3857 9.4683 125.4917 54.8166 31.4948 174.9686 43 L 4.8956 9.0834 127.4605 55.0770 42.7567 175.4051 44 C 5.5584 9.3960 123.1973 58.0731 33.2547 172.7431 45 S 5.2237 9.0515 114.4681 56.5800 65.4758 172.5767 46 L 4.6564 9.0222 128.6048 53.8087 45.0519 175.8062 47 H 4.2858 10.1770 125.1805 56.8526 26.3780 176.0805 48 G 4.0168 8.6090 107.1595 45.2613 0.0000 174.3485 49 R 4.5342 7.8287 118.9959 54.9854 31.6152 174.9249 50 Q 5.0992 8.0902 121.1991 54.3771 32.2180 174.3434 51 G 4.1971 8.3988 111.4260 45.9692 0.0000 172.1364 52 I 5.0439 8.3956 114.1310 60.5821 39.6200 175.2932 53 V 5.1331 8.9651 122.5068 60.7488 35.6862 172.6486 54 P 3.8146 0.0000 0.0000 61.8527 31.6801 177.5614 55 G 2.2076 8.1825 114.1110 47.9783 0.0000 174.4422 56 N 4.3807 7.5157 114.2635 53.9154 37.6826 175.4180 57 R 4.6572 7.8992 118.2870 56.2814 30.5271 175.3339 58 L 5.3022 7.4011 117.8965 52.5336 45.1190 175.8813 59 K 4.6803 8.6118 119.6847 54.8183 35.7512 175.6217 60 I 4.0959 8.4043 123.5827 61.6009 38.1325 175.9346 61 L 4.2878 8.8950 127.7934 53.2412 42.0631 176.4491 62 V 3.6773 8.1166 124.6636 64.0060 31.8749 176.5730 63 G 4.0086 8.8901 115.3575 45.3301 0.0000 172.5006 64 M 4.5761 7.2210 119.8979 53.6701 34.3357 174.7627 65 Y 4.9781 8.3305 119.2535 56.3853 42.8824 173.7155 66 D 5.0494 8.9177 120.9407 52.0557 44.0648 175.5667 67 K 4.4727 8.7646 125.0551 56.5860 32.1167 177.2900 68 K 4.1359 8.8986 124.4909 58.6692 32.7876 175.3908 69 P 4.4032 0.0000 0.0000 62.9231 31.2702 175.9803 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 H 8.30 4.88 0.00 3.18 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.70 5.00 0.00 1.26 1.29 0.43 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 9.35 5.04 0.00 2.75 2.88 0.00 0.00 6.50 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.53 3.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.04 0.00 0.00 5 L 8.13 5.25 0.00 1.65 1.47 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.96 5.12 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.83 4.93 0.00 1.73 1.57 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.44 7.81 8 A 8.80 4.41 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.97 4.02 0.00 1.22 0.96 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.65 4.94 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.76 4.77 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.69 4.51 0.00 1.54 1.42 0.00 0.00 7.01 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.24 4.44 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 14 A 8.55 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.50 4.30 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 16 S 7.39 4.68 0.00 3.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.36 0.00 2.06 2.16 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 18 D 7.77 4.49 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.71 5.12 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.78 0.00 20 L 8.65 4.45 0.00 1.90 1.85 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.63 4.87 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.30 4.96 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.42 5.16 0.00 1.81 1.89 0.00 3.18 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 24 K 8.87 4.02 0.00 1.73 1.76 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.34 7.81 25 G 8.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.17 4.52 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.24 4.96 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.87 0.00 0.00 28 M 9.01 4.94 0.00 1.85 2.15 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 29 T 8.69 4.66 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 V 8.71 4.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.18 0.00 0.00 31 L 8.88 4.28 0.00 1.73 1.72 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.74 4.46 0.00 1.99 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 33 Q 8.46 3.51 0.00 1.64 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.53 0.00 0.00 0.00 0.00 0.00 1.16 1.59 0.00 34 D 8.63 4.78 0.00 2.75 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.94 4.06 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 36 Q 9.70 3.59 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 37 G 8.51 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.97 4.31 0.00 2.02 1.89 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.01 4.85 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.32 5.15 0.00 3.40 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 9.47 5.39 0.00 3.26 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.08 4.90 0.00 1.85 1.61 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 C 9.40 5.56 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.05 5.22 0.00 3.87 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.02 4.66 0.00 1.66 1.47 0.72 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 47 H 10.18 4.29 0.00 3.32 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.61 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.83 4.53 0.00 2.05 1.89 0.00 3.12 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 50 Q 8.09 5.10 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 51 G 8.40 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.40 5.04 2.24 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 1.01 0.00 0.00 53 V 8.97 5.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.16 0.00 0.00 54 P 0.00 3.81 0.00 1.83 1.18 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.93 0.00 55 G 8.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.52 4.38 0.00 2.73 2.79 0.00 0.00 5.97 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.90 4.66 0.00 2.12 2.24 0.00 2.93 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 58 L 7.40 5.30 0.00 1.22 1.35 0.63 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.61 4.68 0.00 1.73 1.81 0.00 1.27 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.32 7.81 60 I 8.40 4.10 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.91 0.00 0.00 61 L 8.89 4.29 0.00 1.58 1.53 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.12 3.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 63 G 8.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 7.22 4.58 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 65 Y 8.33 4.98 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.92 5.05 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.76 4.47 0.00 1.71 1.77 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 68 K 8.90 4.14 0.00 1.72 1.90 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.52 7.81 69 P 0.00 4.40 0.00 2.19 2.05 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00